sodium (2,5-dichlorophenyl)sulfonylazanide

C6H4Cl2NNaO2S — CID 12571213

IUPACsodium (2,5-dichlorophenyl)sulfonylazanide
SMILES[NH-]S(=O)(=O)c1cc(Cl)ccc1Cl.[Na+]
InChIInChI=1S/C6H4Cl2NO2S.Na/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3H,(H-,9,10,11);/q-1;+1
InChIKeyAIPAALBGVWEXDX-UHFFFAOYSA-N
MW248.07 g/mol
LogP-0.26
Rot. Bonds1

About sodium (2,5-dichlorophenyl)sulfonylazanide

sodium (2,5-dichlorophenyl)sulfonylazanide (PubChem CID 12571213) has the molecular formula C6H4Cl2NNaO2S and a molecular weight of 248.07 g/mol. Its IUPAC name is sodium (2,5-dichlorophenyl)sulfonylazanide.

Molecular Properties

Compound Namesodium (2,5-dichlorophenyl)sulfonylazanide
PubChem CID12571213
Molecular FormulaC6H4Cl2NNaO2S
Molecular Weight248.07 g/mol
Exact Mass246.92
IUPAC Namesodium (2,5-dichlorophenyl)sulfonylazanide
SMILES[NH-]S(=O)(=O)c1cc(Cl)ccc1Cl.[Na+]
InChIInChI=1S/C6H4Cl2NO2S.Na/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3H,(H-,9,10,11);/q-1;+1
InChIKeyAIPAALBGVWEXDX-UHFFFAOYSA-N
XLogP-0.26
TPSA57.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium (2,5-dichlorophenyl)sulfonylazanide?
The IUPAC name of sodium (2,5-dichlorophenyl)sulfonylazanide (CID 12571213) is sodium (2,5-dichlorophenyl)sulfonylazanide.
What is the SMILES notation for sodium (2,5-dichlorophenyl)sulfonylazanide?
The canonical SMILES for sodium (2,5-dichlorophenyl)sulfonylazanide is [NH-]S(=O)(=O)c1cc(Cl)ccc1Cl.[Na+].
What is the InChIKey of sodium (2,5-dichlorophenyl)sulfonylazanide?
The InChIKey is AIPAALBGVWEXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2NO2S.Na/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3H,(H-,9,10,11);/q-1;+1.
What are the key properties of sodium (2,5-dichlorophenyl)sulfonylazanide?
sodium (2,5-dichlorophenyl)sulfonylazanide has a molecular weight of 248.07 g/mol, XLogP of -0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2,5-dichlorophenyl)sulfonylazanide is sourced from PubChem (CID 12571213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).